cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate

C16H22N2O3 — CID 96550280

IUPACcis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H]1C(=O)N[C@H](c1ncccc1C)C(C)C
InChIInChI=1S/C16H22N2O3/c1-9(2)13(14-10(3)6-5-7-17-14)18-15(19)11-8-12(11)16(20)21-4/h5-7,9,11-13H,8H2,1-4H3,(H,18,19)/t11-,12+,13+/m1/s1
InChIKeyJSRHEIZFINVAAI-AGIUHOORSA-N
MW290.36 g/mol
LogP2.01
Rot. Bonds5

About cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 96550280) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID96550280
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namecis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@H]1C(=O)N[C@H](c1ncccc1C)C(C)C
InChIInChI=1S/C16H22N2O3/c1-9(2)13(14-10(3)6-5-7-17-14)18-15(19)11-8-12(11)16(20)21-4/h5-7,9,11-13H,8H2,1-4H3,(H,18,19)/t11-,12+,13+/m1/s1
InChIKeyJSRHEIZFINVAAI-AGIUHOORSA-N
XLogP2.01
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

cis-methyl (1S,2R)-2-[[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate
CID 96550279
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119885546
(2R)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 95769801
1-(1-adamantyl)-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 99808511
2-(3-methoxyphenyl)-N-[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]acetamide
CID 96550306
2-methyl-3-(methylamino)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 119885559
(2S)-2-methyl-N-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-methylsulfanylpropanamide
CID 95628271
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 111631045
2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119133858
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953880
2-methyl-1-(3-methyl-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115752072
1-[(2R,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]-3-[(1R)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 97225250

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate (CID 96550280) is cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@H]1C(=O)N[C@H](c1ncccc1C)C(C)C.
What is the InChIKey of cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is JSRHEIZFINVAAI-AGIUHOORSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-9(2)13(14-10(3)6-5-7-17-14)18-15(19)11-8-12(11)16(20)21-4/h5-7,9,11-13H,8H2,1-4H3,(H,18,19)/t11-,12+,13+/m1/s1.
What are the key properties of cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[[(1S)-2-methyl-1-(3-methyl-2-pyridinyl)propyl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 96550280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).